4-{[(5-Amino-6-Cyano-2-Pyrazinyl)Methyl]Amino}Benzoic Acid
[CAS# 100900-25-2]

Identification

• Name: 4-{[(5-Amino-6-Cyano-2-Pyrazinyl)Methyl]Amino}Benzoic Acid
• Synonyms: 4-(N-(2-AMINO-3-CYANO-5-PYRAZINYLMETHYL)-AMINO)BENZOIC ACID
• Molecular Formula: C₁₃H₁₁N₅O₂
• Molecular Weight: 269.26
• CAS Registry Number: 100900-25-2
• SMILES: N#Cc1nc(cnc1N)CNc2ccc(C(=O)O)cc2
• InChI: 1S/C13H11N5O2/c14-5-11-12(15)17-7-10(18-11)6-16-9-3-1-8(2-4-9)13(19)20/h1-4,7,16H,6H2,(H2,15,17)(H,19,20)
• InChIKey: KTQXGFMQHZQJBP-UHFFFAOYSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 578.915°C at 760 mmHg (Cal.)
• Flash point: 303.917°C (Cal.)
• Refractive index: 1.685 (Cal.)